(3R)-N-(2,4-dimethoxyphenyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide

C23H30N2O4 — CID 7323922

IUPAC(3R)-N-(2,4-dimethoxyphenyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
SMILESCOc1ccc(NC(=O)C[C@H](C)CC(=O)Nc2ccc(C(C)C)cc2)c(OC)c1
InChIInChI=1S/C23H30N2O4/c1-15(2)17-6-8-18(9-7-17)24-22(26)12-16(3)13-23(27)25-20-11-10-19(28-4)14-21(20)29-5/h6-11,14-16H,12-13H2,1-5H3,(H,24,26)(H,25,27)/t16-/m1/s1
InChIKeyNKCGCMSBTMZIJS-MRXNPFEDSA-N
MW398.50 g/mol
LogP4.82
Rot. Bonds9

About (3R)-N-(2,4-dimethoxyphenyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide

(3R)-N-(2,4-dimethoxyphenyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide (PubChem CID 7323922) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is (3R)-N-(2,4-dimethoxyphenyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide.

Molecular Properties

Compound Name(3R)-N-(2,4-dimethoxyphenyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
PubChem CID7323922
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name(3R)-N-(2,4-dimethoxyphenyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
SMILESCOc1ccc(NC(=O)C[C@H](C)CC(=O)Nc2ccc(C(C)C)cc2)c(OC)c1
InChIInChI=1S/C23H30N2O4/c1-15(2)17-6-8-18(9-7-17)24-22(26)12-16(3)13-23(27)25-20-11-10-19(28-4)14-21(20)29-5/h6-11,14-16H,12-13H2,1-5H3,(H,24,26)(H,25,27)/t16-/m1/s1
InChIKeyNKCGCMSBTMZIJS-MRXNPFEDSA-N
XLogP4.82
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991641
N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)butanamide
CID 110297262
(3S)-N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 1309526
(2,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azanium
CID 9101248
N-(2,4-dimethoxyphenyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 112999258
N-(2,4-dimethoxyphenyl)-3-(ethylamino)butanamide
CID 60663376
N-(2,4-dimethoxyphenyl)-2-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide
CID 78766612
2-(2-acetyl-5-methoxyphenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 2709111
(3R)-N-(2,4-dimethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784438
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2,5-dimethoxybenzoate
CID 7586714
N-(2-methoxy-4-propan-2-ylphenyl)propanamide
CID 110777573
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 7746783

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2,4-dimethoxyphenyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide?
The IUPAC name of (3R)-N-(2,4-dimethoxyphenyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide (CID 7323922) is (3R)-N-(2,4-dimethoxyphenyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide.
What is the SMILES notation for (3R)-N-(2,4-dimethoxyphenyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide?
The canonical SMILES for (3R)-N-(2,4-dimethoxyphenyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide is COc1ccc(NC(=O)C[C@H](C)CC(=O)Nc2ccc(C(C)C)cc2)c(OC)c1.
What is the InChIKey of (3R)-N-(2,4-dimethoxyphenyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide?
The InChIKey is NKCGCMSBTMZIJS-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-15(2)17-6-8-18(9-7-17)24-22(26)12-16(3)13-23(27)25-20-11-10-19(28-4)14-21(20)29-5/h6-11,14-16H,12-13H2,1-5H3,(H,24,26)(H,25,27)/t16-/m1/s1.
What are the key properties of (3R)-N-(2,4-dimethoxyphenyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide?
(3R)-N-(2,4-dimethoxyphenyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide has a molecular weight of 398.50 g/mol, XLogP of 4.82, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2,4-dimethoxyphenyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide is sourced from PubChem (CID 7323922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).